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Substance Name: 4-Hydroxy-1,1-dimethylpiperidinium bromide 3-methyl-2-phenylvalerate
RN: 100337-30-2
UNII: BS4I581DAQ
InChIKey: KYOYDSSHIFXLMW-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H30-N-O2.Br

Molecular Weight

  • 384.355
 
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Names and Synonyms

Name of Substance

  • 4-Hydroxy-1,1-dimethylpiperidinium bromide 3-methyl-2-phenylvalerate

Synonyms

  • C 4292
  • UNII-BS4I581DAQ

Systematic Names

  • Piperidinium, 1,1-dimethyl-4-hydroxy-, bromide, 3-methyl-2-phenylvalerate
  • Piperidinium, 4-((3-methyl-2-phenylvaleryl)oxy)-1,1-dimethyl-, bromide (9CI)

Registry Numbers

CAS Registry Number

  • 100337-30-2

FDA UNII

  • BS4I581DAQ

System Generated Number

  • 0100337302

Molecular Formulas

Molecular Formula

  • C19-H30-N-O2.Br

Molecular Formula Fragments

  • Br
  • C19-H30-N-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C19H30NO2.BrH/c1-5-15(2)18(16-9-7-6-8-10-16)19(21)22-17-11-13-20(3,4)14-12-17;/h6-10,15,17-18H,5,11-14H2,1-4H3;1H/q+1;/p-1

InChIKey

KYOYDSSHIFXLMW-UHFFFAOYSA-M

Smiles

CCC(C)C(c1ccccc1)C(=O)OC2CC[N+](CC2)(C)C.[Br-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 3200ug/kg (3.2mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 13, Pg. 66, 1963.